CID 137949931

Methyl 1-(piperidin-3-yl)bicyclo[2.1.1]hexane-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
COC(=O)C1C2CCC1(C2)C3CCCNC3
InChI
InChI=1S/C13H21NO2/c1-16-12(15)11-9-4-5-13(11,7-9)10-3-2-6-14-8-10/h9-11,14H,2-8H2,1H3
InChIKey
PAFDKGGSLBRPIA-UHFFFAOYSA-N
Compound name
methyl 1-piperidin-3-ylbicyclo[2.1.1]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 157.3
[M+Na]+ 246.146448 160.0
[M-H]- 222.149954 157.8
[M+NH4]+ 241.191053 175.7
[M+K]+ 262.120388 160.0
[M+H-H2O]+ 206.154490 148.7
[M+HCOO]- 268.155431 168.5
[M+CH3COO]- 282.171081 166.8
[M+Na-2H]- 244.131896 159.7
[M]+ 223.15668142 164.7
[M]- 223.15777858 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.